Glycoside
...
GD139761

Name:
Turgorin

Formula:
C13H16O13S

Smiles:
O=C(O)c1cc(O)c(OC2OC(COS(=O)(=O)O)C(O)C(O)C2O)c(O)c1

Aglycone:
COS(=O)(=O)O.O=C(O)c1cc(O)c(O)c(O)c1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.46
AlogP: -2.2 Num_rotatable_bonds: 6
MolWt: 412.33 Num_heavy_atoms: 27
TPSA: 220.51 NumAromaticRings: 1

Unique Aglycone
AD00053
Formula: CH4O4S

Smiles:
COS(=O)(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.56 Num_rotatable_bonds: 1
MolWt: 112.11 Num_heavy_atoms: 6
TPSA: 63.6 NumAromaticRings: 0
AD00518
Formula: C7H6O5

Smiles:
O=C(O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: 0.5 Num_rotatable_bonds: 1
MolWt: 170.12 Num_heavy_atoms: 12
TPSA: 97.99 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O